Product OPENEYE NAME: 3,5-dinitrobenzonitrile
CAS Name: 3,5-dinitrobenzonitrile
IUPAC NAME: 3,5-dinitrobenzonitrile
SYSTEMATIC NAME: 3,5-dinitrobenzenecarbonitrile
MOLECULAR FORMULA: C7H3N3O4
MOLECULAR WEIGHT: 193.11642
SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C#N
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Product OPENEYE NAME: 1-ethylsulfanylpropane
CAS Name: 1-(ethylthio)propane
IUPAC NAME: 1-ethylsulfanylpropane
SYSTEMATIC NAME: 1-ethylsulfanylpropane
MOLECULAR FORMULA: C5H12S
MOLECULAR WEIGHT: 104.21378
SMILES: CCCSCC
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Product OPENEYE NAME: ethyl N-aminocarbamate
CAS Name: N-aminocarbamic acid ethyl ester
IUPAC NAME: ethyl N-aminocarbamate
SYSTEMATIC NAME: ethyl N-azanylcarbamate
MOLECULAR FORMULA: C3H8N2O2
MOLECULAR WEIGHT: 104.10782
SMILES: CCOC(=O)NN
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Product OPENEYE NAME: 2-chloro-N-methyl-3-oxo-butanamide
CAS Name: 2-chloro-N-methyl-3-oxobutanamide
IUPAC NAME: 2-chloro-N-methyl-3-oxobutanamide
SYSTEMATIC NAME: 2-chloranyl-N-methyl-3-oxidanylidene-butanamide
MOLECULAR FORMULA: C5H8ClNO2
MOLECULAR WEIGHT: 149.57552
SMILES: CC(=O)C(C(=O)NC)Cl
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Product OPENEYE NAME: deca-2,8-diyne
CAS Name: deca-2,8-diyne
IUPAC NAME: deca-2,8-diyne
SYSTEMATIC NAME: deca-2,8-diyne
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: CC#CCCCCC#CC
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MOLECULAR FORMULA: C22H22N4O6
MOLECULAR WEIGHT: 438.43328
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3([C@@H]2COC(=O)N)OC)N4C(=O)C5=CC=CC=C5)N
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MOLECULAR FORMULA: C17H22N4O5
MOLECULAR WEIGHT: 362.38038
SMILES: CCNC1=C(C(=O)C2=C(C1=O)[C@H]([C@@]3(N2CC4C3N4)OC)COC(=O)N)C
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MOLECULAR FORMULA: C16H20N4O5
MOLECULAR WEIGHT: 348.3538
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)OC)N4)NC
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MOLECULAR FORMULA: C17H20N4O5
MOLECULAR WEIGHT: 360.3645
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)OC)N4)N5CC5
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Product OPENEYE NAME: isopropyl 2-hydroxy-2-phenyl-acetate
CAS Name: 2-hydroxy-2-phenylacetic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 2-hydroxy-2-phenylacetate
SYSTEMATIC NAME: propan-2-yl 2-oxidanyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: CC(C)OC(=O)C(C1=CC=CC=C1)O
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Product OPENEYE NAME: N-(2-phenanthryl)acetamide
CAS Name: N-(2-phenanthrenyl)acetamide
IUPAC NAME: N-phenanthren-2-ylacetamide
SYSTEMATIC NAME: N-phenanthren-2-ylethanamide
MOLECULAR FORMULA: C16H13NO
MOLECULAR WEIGHT: 235.28052
SMILES: CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C=C2
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Product OPENEYE NAME: N-(3-phenanthryl)acetamide
CAS Name: N-(3-phenanthrenyl)acetamide
IUPAC NAME: N-phenanthren-3-ylacetamide
SYSTEMATIC NAME: N-phenanthren-3-ylethanamide
MOLECULAR FORMULA: C16H13NO
MOLECULAR WEIGHT: 235.28052
SMILES: CC(=O)NC1=CC2=C(C=CC3=CC=CC=C32)C=C1
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Product OPENEYE NAME: O6-benzyl O1-butyl hexanedioate
CAS Name: hexanedioic acid O1-butyl ester O6-(phenylmethyl) ester
IUPAC NAME: 6-O-benzyl 1-O-butyl hexanedioate
SYSTEMATIC NAME: O1-butyl O6-(phenylmethyl) hexanedioate
MOLECULAR FORMULA: C17H24O4
MOLECULAR WEIGHT: 292.37006
SMILES: CCCCOC(=O)CCCCC(=O)OCC1=CC=CC=C1
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Product OPENEYE NAME: dinonyl decanedioate
CAS Name: decanedioic acid dinonyl ester
IUPAC NAME: dinonyl decanedioate
SYSTEMATIC NAME: dinonyl decanedioate
MOLECULAR FORMULA: C28H54O4
MOLECULAR WEIGHT: 454.72596
SMILES: CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCC
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Product OPENEYE NAME: 2-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole
CAS Name: 2-methyl-3-[2-(4-phenyl-1-piperazinyl)ethyl]-1H-indole
IUPAC NAME: 2-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole
SYSTEMATIC NAME: 2-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole
MOLECULAR FORMULA: C21H25N3
MOLECULAR WEIGHT: 319.4433
SMILES: CC1=C(C2=CC=CC=C2N1)CCN3CCN(CC3)C4=CC=CC=C4
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Product OPENEYE NAME: 1,3,5-triazin-2-amine
CAS Name: 1,3,5-triazin-2-amine
IUPAC NAME: 1,3,5-triazin-2-amine
SYSTEMATIC NAME: 1,3,5-triazin-2-amine
MOLECULAR FORMULA: C3H4N4
MOLECULAR WEIGHT: 96.09066
SMILES: C1=NC=NC(=N1)N
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Product OPENEYE NAME: N-ethyl-1,3,5-triazin-2-amine
CAS Name: N-ethyl-1,3,5-triazin-2-amine
IUPAC NAME: N-ethyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: N-ethyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C5H8N4
MOLECULAR WEIGHT: 124.14382
SMILES: CCNC1=NC=NC=N1
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Product OPENEYE NAME: (2,2,2-trichloroacetyl) 2,2,2-trichloroacetate
CAS Name: 2,2,2-trichloroacetic acid (2,2,2-trichloro-1-oxoethyl) ester
IUPAC NAME: (2,2,2-trichloroacetyl) 2,2,2-trichloroacetate
SYSTEMATIC NAME: 2,2,2-tris(chloranyl)ethanoyl 2,2,2-tris(chloranyl)ethanoate
MOLECULAR FORMULA: C4Cl6O3
MOLECULAR WEIGHT: 308.759
SMILES: C(=O)(C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl
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Product OPENEYE NAME: methylcycloheptane
CAS Name: methylcycloheptane
IUPAC NAME: methylcycloheptane
SYSTEMATIC NAME: methylcycloheptane
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CC1CCCCCC1
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Product OPENEYE NAME: octan-2-ol
CAS Name: 2-octanol
IUPAC NAME: octan-2-ol
SYSTEMATIC NAME: octan-2-ol
MOLECULAR FORMULA: C8H18O
MOLECULAR WEIGHT: 130.22792
SMILES: CCCCCCC(C)O
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